(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine

C17H25N5 — CID 124997613

IUPAC(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
SMILESCCn1cc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cn1
InChIInChI=1S/C17H25N5/c1-3-22-13-15(11-19-22)12-20(2)16-7-6-10-21(14-16)17-8-4-5-9-18-17/h4-5,8-9,11,13,16H,3,6-7,10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyRBNCOCAIPHLJBB-MRXNPFEDSA-N
MW299.42 g/mol
LogP2.40
Rot. Bonds5

About (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine

(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine (PubChem CID 124997613) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
PubChem CID124997613
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
SMILESCCn1cc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cn1
InChIInChI=1S/C17H25N5/c1-3-22-13-15(11-19-22)12-20(2)16-7-6-10-21(14-16)17-8-4-5-9-18-17/h4-5,8-9,11,13,16H,3,6-7,10,12,14H2,1-2H3/t16-/m1/s1
InChIKeyRBNCOCAIPHLJBB-MRXNPFEDSA-N
XLogP2.40
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine with MolForge

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Related Compounds

(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
CID 124975782
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 110107200
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 125000459
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
N-[(4-chlorophenyl)methyl]-N-methyl-1-pyridin-2-ylazetidin-3-amine
CID 146074522
3-ethyl-N,5-dimethyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125005100
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine (CID 124997613) is (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine is CCn1cc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cn1.
What is the InChIKey of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine?
The InChIKey is RBNCOCAIPHLJBB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-22-13-15(11-19-22)12-20(2)16-7-6-10-21(14-16)17-8-4-5-9-18-17/h4-5,8-9,11,13,16H,3,6-7,10,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine?
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine has a molecular weight of 299.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine is sourced from PubChem (CID 124997613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).